# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0Y3' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -11.90700 -2.08900 0.31000 1.000 C1 C -11.48400 -2.33600 1.60400 1.000 C2 C -10.20900 -2.81000 1.83700 1.000 C3 C -9.34700 -3.04000 0.76700 1.000 C4 C -9.77800 -2.78900 -0.53400 1.000 C5 C -11.05700 -2.32100 -0.75600 1.000 C6 C -7.97300 -3.54400 1.01200 1.000 C7 C -7.54200 -3.79400 2.31300 1.000 C8 C -5.41000 -4.48400 1.46900 1.000 C9 C -5.83400 -4.24200 0.17500 1.000 C10 C -7.11100 -3.77400 -0.05900 1.000 N11 N -13.45700 0.17000 0.04900 1.000 O12 O 15.61600 1.46000 0.69700 1.000 C13 C 14.67300 1.62900 1.44200 1.000 N14 N 14.78000 2.48100 2.48100 1.000 O15 O 15.99100 3.18000 2.70200 1.000 C16 C 13.38400 0.88600 1.20600 1.000 N17 N 13.48300 0.11900 -0.03800 1.000 S18 S 13.50900 -1.53600 0.00900 1.000 O19 O 13.81400 -1.89500 1.35000 1.000 C20 C 11.86400 -2.09300 -0.29200 1.000 C21 C 11.44700 -2.34100 -1.58700 1.000 C22 C 10.16000 -2.77700 -1.82800 1.000 C23 C 9.28000 -2.96700 -0.76500 1.000 C24 C 7.89600 -3.43700 -1.01800 1.000 C25 C 7.01600 -3.62700 0.04600 1.000 C26 C 5.72900 -4.06300 -0.19600 1.000 C27 C 5.31200 -4.31100 -1.49100 1.000 C28 C 6.18100 -4.12400 -2.55100 1.000 C29 C 7.46800 -3.68200 -2.32100 1.000 C30 C 9.70600 -2.71600 0.53800 1.000 C31 C 10.99700 -2.28600 0.76900 1.000 O32 O 14.28500 -1.95700 -1.10400 1.000 O33 O 13.55600 0.79300 -1.28100 1.000 C34 C 14.88900 1.02500 -1.73900 1.000 C35 C 15.11600 0.27300 -3.05200 1.000 C36 C 15.09700 2.52300 -1.96700 1.000 C37 C 12.23100 1.88600 1.09900 1.000 C38 C 10.90700 1.12800 0.98400 1.000 N39 N 9.80300 2.08500 0.88100 1.000 C40 C 8.53500 1.64300 0.77000 1.000 O41 O 8.30800 0.45100 0.75600 1.000 C42 C 7.39900 2.62800 0.66400 1.000 C43 C 6.07600 1.87000 0.55000 1.000 C44 C 4.92300 2.87000 0.44200 1.000 N45 N 3.65500 2.14400 0.33300 1.000 C46 C 2.49600 2.82400 0.22600 1.000 O47 O 2.50300 4.03900 0.22100 1.000 C48 C 1.21700 2.09100 0.11600 1.000 C49 C 0.01800 2.79200 -0.00000 1.000 C50 C 1.20700 0.69400 0.12200 1.000 C51 C 0.01300 0.00900 0.01800 1.000 C52 C -1.17900 0.69700 -0.09100 1.000 C53 C -1.18300 2.09400 -0.10400 1.000 C54 C -2.45900 2.83000 -0.22700 1.000 O55 O -2.46100 4.04600 -0.23700 1.000 N56 N -3.62100 2.15300 -0.32700 1.000 C57 C -4.88500 2.88300 -0.44900 1.000 C58 C -6.04200 1.88500 -0.54600 1.000 C59 C -7.36300 2.64700 -0.67300 1.000 C60 C -8.50200 1.66500 -0.76800 1.000 O61 O -8.27900 0.47300 -0.73800 1.000 N62 N -9.76800 2.11100 -0.88800 1.000 C63 C -10.87500 1.15600 -0.98100 1.000 C64 C -12.19600 1.91800 -1.10800 1.000 C65 C -13.35200 0.92100 -1.20500 1.000 C66 C -14.63800 1.66600 -1.45300 1.000 O67 O -15.50000 1.69000 -0.60000 1.000 N68 N -14.83200 2.30500 -2.62400 1.000 O69 O -16.04000 3.00500 -2.85700 1.000 O70 O -13.49000 0.85900 1.28600 1.000 C71 C -14.80800 1.16000 1.74800 1.000 C72 C -15.09100 0.37100 3.02900 1.000 C73 C -14.91800 2.65800 2.03700 1.000 S74 S -13.53600 -1.48400 0.02000 1.000 O75 O -13.86700 -1.84600 -1.31300 1.000 O76 O -14.31300 -1.86800 1.14600 1.000 C77 C -6.26300 -4.26300 2.53500 1.000 H78 H -12.15200 -2.15700 2.43300 1.000 H79 H -9.88000 -3.00200 2.84800 1.000 H80 H -9.11400 -2.96600 -1.36800 1.000 H81 H -11.39300 -2.12600 -1.76400 1.000 H82 H -8.20700 -3.62200 3.14600 1.000 H83 H -4.41000 -4.85100 1.64700 1.000 H84 H -5.16400 -4.41700 -0.65400 1.000 H85 H -7.44200 -3.58600 -1.06900 1.000 H86 H 14.02600 2.61600 3.07600 1.000 H87 H 15.97200 3.76700 3.47000 1.000 H88 H 13.19900 0.20600 2.03800 1.000 H89 H 12.12900 -2.19200 -2.41100 1.000 H90 H 9.83500 -2.97000 -2.84000 1.000 H91 H 7.34100 -3.43400 1.05800 1.000 H92 H 5.04700 -4.21100 0.62800 1.000 H93 H 4.30400 -4.65300 -1.67500 1.000 H94 H 5.85000 -4.31900 -3.56000 1.000 H95 H 8.14400 -3.53200 -3.15000 1.000 H96 H 9.02900 -2.86200 1.36700 1.000 H97 H 11.33000 -2.09500 1.77800 1.000 H98 H 15.59700 0.67000 -0.99000 1.000 H99 H 16.12500 0.46900 -3.41300 1.000 H100 H 14.99200 -0.79700 -2.88400 1.000 H101 H 14.39200 0.61100 -3.79400 1.000 H102 H 14.93500 3.05900 -1.03100 1.000 H103 H 16.11400 2.70100 -2.31600 1.000 H104 H 14.38900 2.87800 -2.71500 1.000 H105 H 12.21300 2.51600 1.98800 1.000 H106 H 12.37100 2.50800 0.21500 1.000 H107 H 10.92500 0.49700 0.09500 1.000 H108 H 10.76700 0.50500 1.86800 1.000 H109 H 9.98500 3.03800 0.89300 1.000 H110 H 7.38100 3.25800 1.55300 1.000 H111 H 7.54000 3.25000 -0.22000 1.000 H112 H 6.09400 1.23900 -0.33900 1.000 H113 H 5.93500 1.24700 1.43400 1.000 H114 H 4.90500 3.50000 1.33100 1.000 H115 H 5.06300 3.49200 -0.44200 1.000 H116 H 3.64900 1.17400 0.33700 1.000 H117 H 0.02100 3.87200 -0.00900 1.000 H118 H 2.13600 0.14900 0.20700 1.000 H119 H 0.01100 -1.07100 0.02300 1.000 H120 H -2.10900 0.15500 -0.17200 1.000 H121 H -3.61900 1.18300 -0.31900 1.000 H122 H -5.02500 3.51700 0.42700 1.000 H123 H -4.86300 3.50100 -1.34600 1.000 H124 H -5.90200 1.25100 -1.42100 1.000 H125 H -6.06400 1.26700 0.35100 1.000 H126 H -7.50200 3.28100 0.20300 1.000 H127 H -7.34000 3.26600 -1.57000 1.000 H128 H -9.94600 3.06400 -0.91200 1.000 H129 H -10.73500 0.52200 -1.85600 1.000 H130 H -10.89700 0.53700 -0.08400 1.000 H131 H -12.33500 2.55200 -0.23300 1.000 H132 H -12.17400 2.53700 -2.00500 1.000 H133 H -13.16800 0.23000 -2.02800 1.000 H134 H -14.14300 2.28600 -3.30700 1.000 H135 H -16.08700 3.43100 -3.72400 1.000 H136 H -15.53300 0.88300 0.98400 1.000 H137 H -15.13600 -0.69300 2.79800 1.000 H138 H -14.29400 0.55300 3.75100 1.000 H139 H -16.04300 0.69300 3.45000 1.000 H140 H -14.71700 3.22000 1.12500 1.000 H141 H -15.92400 2.88700 2.39000 1.000 H142 H -14.19300 2.93500 2.80200 1.000 H143 H -5.92600 -4.45300 3.54300 1.000